7-chloranyl-2-(cyclohexylmethylsulfanyl)-3-(3-methylphenyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-(cyclohexylmethylsulfanyl)-3-(3-methylphenyl)quinazolin-4-one Openeye Name: 7-chloro-2-(cyclohexylmethylsulfanyl)-3-(m-tolyl)quinazolin-4-one CAS Name: 7-chloro-2-(cyclohexylmethylthio)-3-(3-methylphenyl)-4-quinazolinone IUPAC Name: 7-chloro-2-(cyclohexylmethylsulfanyl)-3-(3-methylphenyl)quinazolin-4-one Traditional Name: 7-chloro-2-(cyclohexylmethylthio)-3-(m-tolyl)quinazolin-4-one Formula: C22H23ClN2OS MolecularWeight: 398.94882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4CCCCC4

InChI

InChI=1S/C22H23ClN2OS/c1-15-6-5-9-18(12-15)25-21(26)19-11-10-17(23)13-20(19)24-22(25)27-14-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3